4-morpholin-4-yl-N-(naphthalen-2-ylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: 4-morpholin-4-yl-N-(naphthalen-2-ylcarbamothioyl)-3-nitro-benzamide Openeye Name: 4-morpholino-N-(2-naphthylcarbamothioyl)-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[(2-naphthalenylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-(naphthalen-2-ylcarbamothioyl)-3-nitrobenzamide Traditional Name: 4-morpholino-N-(2-naphthylthiocarbamoyl)-3-nitro-benzamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S/c27-21(24-22(31)23-18-7-5-15-3-1-2-4-16(15)13-18)17-6-8-19(20(14-17)26(28)29)25-9-11-30-12-10-25/h1-8,13-14H,9-12H2,(H2,23,24,27,31)